4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide

C11H21NO2S — CID 23523715

IUPAC4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide
SMILESCC1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H21NO2S/c1-10-2-4-11(5-3-10)12-6-8-15(13,14)9-7-12/h10-11H,2-9H2,1H3
InChIKeyZQOKDABAYNJFAG-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.30
Rot. Bonds1

About 4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide

4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 23523715) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide
PubChem CID23523715
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide
SMILESCC1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H21NO2S/c1-10-2-4-11(5-3-10)12-6-8-15(13,14)9-7-12/h10-11H,2-9H2,1H3
InChIKeyZQOKDABAYNJFAG-UHFFFAOYSA-N
XLogP1.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide (CID 23523715) is 4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide is CC1CCC(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZQOKDABAYNJFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-10-2-4-11(5-3-10)12-6-8-15(13,14)9-7-12/h10-11H,2-9H2,1H3.
What are the key properties of 4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide?
4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 231.36 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 23523715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).